methyl 3-(4-azanyl-3-nitro-phenyl)-2-formamido-2-methyl-propanoate

Systemtic Name: methyl 3-(4-azanyl-3-nitro-phenyl)-2-formamido-2-methyl-propanoate Openeye Name: methyl 3-(4-amino-3-nitro-phenyl)-2-formamido-2-methyl-propanoate CAS Name: 3-(4-amino-3-nitrophenyl)-2-formamido-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-3-nitrophenyl)-2-formamido-2-methylpropanoate Traditional Name: 3-(4-amino-3-nitro-phenyl)-2-formamido-2-methyl-propionic acid methyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)N)[N+](=O)[O-])(C(=O)OC)NC=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)N)[N+](=O)[O-])(C(=O)OC)NC=O

InChI

InChI=1S/C12H15N3O5/c1-12(14-7-16,11(17)20-2)6-8-3-4-9(13)10(5-8)15(18)19/h3-5,7H,6,13H2,1-2H3,(H,14,16)